(1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

C11H18N4O3 — CID 66125280

IUPAC(1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCC(OC(=O)c1c(N)c(C)nn1CC)C(N)=O
InChIInChI=1S/C11H18N4O3/c1-4-7(10(13)16)18-11(17)9-8(12)6(3)14-15(9)5-2/h7H,4-5,12H2,1-3H3,(H2,13,16)
InChIKeyZSAOIUZELJKNDH-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.21
Rot. Bonds5

About (1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

(1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (PubChem CID 66125280) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name(1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
PubChem CID66125280
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name(1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCC(OC(=O)c1c(N)c(C)nn1CC)C(N)=O
InChIInChI=1S/C11H18N4O3/c1-4-7(10(13)16)18-11(17)9-8(12)6(3)14-15(9)5-2/h7H,4-5,12H2,1-3H3,(H2,13,16)
InChIKeyZSAOIUZELJKNDH-UHFFFAOYSA-N
XLogP0.21
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125657
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124501
(1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 62900452
[2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124701
cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124109
2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124113
oxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125269
4-amino-1-ethyl-N-(3-ethylpentan-2-yl)-3-methylpyrazole-5-carboxamide
CID 66125647
thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66123924
oxan-4-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124690
4-amino-1-ethyl-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylpyrazole-5-carboxamide
CID 66123490
(1,1-dioxothiolan-3-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125465

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The IUPAC name of (1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (CID 66125280) is (1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.
What is the SMILES notation for (1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The canonical SMILES for (1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is CCC(OC(=O)c1c(N)c(C)nn1CC)C(N)=O.
What is the InChIKey of (1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The InChIKey is ZSAOIUZELJKNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-7(10(13)16)18-11(17)9-8(12)6(3)14-15(9)5-2/h7H,4-5,12H2,1-3H3,(H2,13,16).
What are the key properties of (1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
(1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66125280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).